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Compile Data Set for Download or QSAR

Found 101 hits from Chinese National Center for Drug Screening   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020912
PNG
(LARGAZOLE THIOL | Largazole Thiol)
Show SMILES CC(C)[C@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17-,21+/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020912
PNG
(LARGAZOLE THIOL | Largazole Thiol)
Show SMILES CC(C)[C@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17-,21+/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020910
PNG
(CHEMBL3287268 | US9216962, CFH395)
Show SMILES CC(C)\C=C\c1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C17H22N4O3S2/c1-11(2)6-7-12-14(20-17(26-12)16-19-9-10-25-16)15(23)18-8-4-3-5-13(22)21-24/h6-7,9-11,24H,3-5,8H2,1-2H3,(H,18,23)(H,21,22)/b7-6+
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n/an/a 10n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020908
PNG
(CHEMBL3287266 | US9216962, CFH367)
Show SMILES C\C=C\c1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C15H18N4O3S2/c1-2-5-10-12(18-15(24-10)14-17-8-9-23-14)13(21)16-7-4-3-6-11(20)19-22/h2,5,8-9,22H,3-4,6-7H2,1H3,(H,16,21)(H,19,20)/b5-2+
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n/an/a 20n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020896
PNG
(CHEMBL3287254 | US9216962, CFH383)
Show SMILES CCCCc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C16H22N4O3S2/c1-2-3-6-11-13(19-16(25-11)15-18-9-10-24-15)14(22)17-8-5-4-7-12(21)20-23/h9-10,23H,2-8H2,1H3,(H,17,22)(H,20,21)
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n/an/a 30n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020894
PNG
(CHEMBL3287252 | US9216962, CFH355)
Show SMILES CCc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C14H18N4O3S2/c1-2-9-11(17-14(23-9)13-16-7-8-22-13)12(20)15-6-4-3-5-10(19)18-21/h7-8,21H,2-6H2,1H3,(H,15,20)(H,18,19)
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n/an/a 30n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50020912
PNG
(LARGAZOLE THIOL | Largazole Thiol)
Show SMILES CC(C)[C@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2
Show InChI InChI=1S/C21H28N4O4S3/c1-12(2)17-19(27)29-13(6-4-5-7-30)8-15(26)22-9-16-23-14(10-31-16)18-25-21(3,11-32-18)20(28)24-17/h4,6,10,12-13,17,30H,5,7-9,11H2,1-3H3,(H,22,26)(H,24,28)/b6-4+/t13-,17-,21+/m1/s1
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n/an/a 49n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(epsilon-acetyl)-AMC as substrate after 3 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020890
PNG
(CHEMBL3287250 | US9216962, CFH382)
Show SMILES CC(C)Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C16H22N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-8,10,23H,3-6,9H2,1-2H3,(H,17,22)(H,20,21)
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n/an/a 50n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020905
PNG
(CHEMBL3287263 | US9216962, CFH461)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1CCOCc1ccccc1)-c1nccs1
Show InChI InChI=1S/C21H24N4O4S2/c26-17(25-28)8-4-5-10-22-19(27)18-16(31-21(24-18)20-23-11-13-30-20)9-12-29-14-15-6-2-1-3-7-15/h1-3,6-7,11,13,28H,4-5,8-10,12,14H2,(H,22,27)(H,25,26)
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n/an/a 50n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020904
PNG
(CHEMBL3287262 | US9216962, CFH417)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1Cc1ccccc1)-c1nccs1
Show InChI InChI=1S/C19H20N4O3S2/c24-15(23-26)8-4-5-9-20-17(25)16-14(12-13-6-2-1-3-7-13)28-19(22-16)18-21-10-11-27-18/h1-3,6-7,10-11,26H,4-5,8-9,12H2,(H,20,25)(H,23,24)
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n/an/a 60n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020915
PNG
(CHEMBL3287008 | US9216962, CFH412-S)
Show SMILES CC(C)[C@H](NC(=O)c1csc(n1)-c1cscn1)C(=O)OC\C=C\CCS
Show InChI InChI=1S/C17H21N3O3S3/c1-11(2)14(17(22)23-6-4-3-5-7-24)20-15(21)12-9-26-16(19-12)13-8-25-10-18-13/h3-4,8-11,14,24H,5-7H2,1-2H3,(H,20,21)/b4-3+/t14-/m0/s1
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n/an/a 60n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020897
PNG
(CHEMBL3287255 | US9216962, CFH367-C)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1
Show InChI InChI=1S/C15H18N4O3S2/c20-10(19-22)3-1-2-6-16-13(21)11-12(9-4-5-9)24-15(18-11)14-17-7-8-23-14/h7-9,22H,1-6H2,(H,16,21)(H,19,20)
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n/an/a 70n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020913
PNG
(CHEMBL3287006)
Show SMILES CC(C)[C@@H]1NC(=O)c2csc(n2)-c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2
Show InChI InChI=1S/C20H24N4O4S3/c1-11(2)17-20(27)28-12(5-3-4-6-29)7-15(25)21-8-16-22-14(10-30-16)19-23-13(9-31-19)18(26)24-17/h3,5,9-12,17,29H,4,6-8H2,1-2H3,(H,21,25)(H,24,26)/b5-3+/t12-,17+/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020904
PNG
(CHEMBL3287262 | US9216962, CFH417)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1Cc1ccccc1)-c1nccs1
Show InChI InChI=1S/C19H20N4O3S2/c24-15(23-26)8-4-5-9-20-17(25)16-14(12-13-6-2-1-3-7-13)28-19(22-16)18-21-10-11-27-18/h1-3,6-7,10-11,26H,4-5,8-9,12H2,(H,20,25)(H,23,24)
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n/an/a 80n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020913
PNG
(CHEMBL3287006)
Show SMILES CC(C)[C@@H]1NC(=O)c2csc(n2)-c2csc(CNC(=O)C[C@H](OC1=O)\C=C\CCS)n2
Show InChI InChI=1S/C20H24N4O4S3/c1-11(2)17-20(27)28-12(5-3-4-6-29)7-15(25)21-8-16-22-14(10-30-16)19-23-13(9-31-19)18(26)24-17/h3,5,9-12,17,29H,4,6-8H2,1-2H3,(H,21,25)(H,24,26)/b5-3+/t12-,17+/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020915
PNG
(CHEMBL3287008 | US9216962, CFH412-S)
Show SMILES CC(C)[C@H](NC(=O)c1csc(n1)-c1cscn1)C(=O)OC\C=C\CCS
Show InChI InChI=1S/C17H21N3O3S3/c1-11(2)14(17(22)23-6-4-3-5-7-24)20-15(21)12-9-26-16(19-12)13-8-25-10-18-13/h3-4,8-11,14,24H,5-7H2,1-2H3,(H,20,21)/b4-3+/t14-/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020890
PNG
(CHEMBL3287250 | US9216962, CFH382)
Show SMILES CC(C)Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C16H22N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-8,10,23H,3-6,9H2,1-2H3,(H,17,22)(H,20,21)
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Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020903
PNG
(CHEMBL3287261 | US9216962, CFH448-P)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1-c1ccc(cc1)[N+]([O-])=O)-c1nccs1
Show InChI InChI=1S/C18H17N5O5S2/c24-13(22-26)3-1-2-8-19-16(25)14-15(11-4-6-12(7-5-11)23(27)28)30-18(21-14)17-20-9-10-29-17/h4-7,9-10,26H,1-3,8H2,(H,19,25)(H,22,24)
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n/an/a 110n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020899
PNG
(CHEMBL3287257 | US9216962, CFH403)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1-c1ccccc1)-c1nccs1
Show InChI InChI=1S/C18H18N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h1-3,6-7,10-11,25H,4-5,8-9H2,(H,19,24)(H,22,23)
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n/an/a 110n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020889
PNG
(CHEMBL3287023 | US9216962, CFH326)
Show SMILES ONC(=O)CCCCNC(=O)c1csc(n1)-c1nccs1
Show InChI InChI=1S/C12H14N4O3S2/c17-9(16-19)3-1-2-4-13-10(18)8-7-21-12(15-8)11-14-5-6-20-11/h5-7,19H,1-4H2,(H,13,18)(H,16,17)
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n/an/a 110n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020908
PNG
(CHEMBL3287266 | US9216962, CFH367)
Show SMILES C\C=C\c1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C15H18N4O3S2/c1-2-5-10-12(18-15(24-10)14-17-8-9-23-14)13(21)16-7-4-3-6-11(20)19-22/h2,5,8-9,22H,3-4,6-7H2,1H3,(H,16,21)(H,19,20)/b5-2+
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n/an/a 110n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020872
PNG
(CHEMBL3287010 | US9216962, CFH426-S)
Show SMILES CC(C)[C@H](NC(=O)c1csc(n1)-c1csc(C)n1)C(=O)OC\C=C\CCS
Show InChI InChI=1S/C18H23N3O3S3/c1-11(2)15(18(23)24-7-5-4-6-8-25)21-16(22)13-9-27-17(20-13)14-10-26-12(3)19-14/h4-5,9-11,15,25H,6-8H2,1-3H3,(H,21,22)/b5-4+/t15-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020909
PNG
(CHEMBL3287267 | US9216962, CFH352)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1C=C)-c1nccs1
Show InChI InChI=1S/C14H16N4O3S2/c1-2-9-11(17-14(23-9)13-16-7-8-22-13)12(20)15-6-4-3-5-10(19)18-21/h2,7-8,21H,1,3-6H2,(H,15,20)(H,18,19)
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n/an/a 120n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020872
PNG
(CHEMBL3287010 | US9216962, CFH426-S)
Show SMILES CC(C)[C@H](NC(=O)c1csc(n1)-c1csc(C)n1)C(=O)OC\C=C\CCS
Show InChI InChI=1S/C18H23N3O3S3/c1-11(2)15(18(23)24-7-5-4-6-8-25)21-16(22)13-9-27-17(20-13)14-10-26-12(3)19-14/h4-5,9-11,15,25H,6-8H2,1-3H3,(H,21,22)/b5-4+/t15-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020910
PNG
(CHEMBL3287268 | US9216962, CFH395)
Show SMILES CC(C)\C=C\c1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C17H22N4O3S2/c1-11(2)6-7-12-14(20-17(26-12)16-19-9-10-25-16)15(23)18-8-4-3-5-13(22)21-24/h6-7,9-11,24H,3-5,8H2,1-2H3,(H,18,23)(H,21,22)/b7-6+
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n/an/a 140n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020885
PNG
(CHEMBL3287022 | US9216962, CFH340-4)
Show SMILES Cc1nc(cs1)-c1nc(cs1)C(=O)NCCCCC(=O)NO
Show InChI InChI=1S/C13H16N4O3S2/c1-8-15-10(7-21-8)13-16-9(6-22-13)12(19)14-5-3-2-4-11(18)17-20/h6-7,20H,2-5H2,1H3,(H,14,19)(H,17,18)
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n/an/a 150n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020905
PNG
(CHEMBL3287263 | US9216962, CFH461)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1CCOCc1ccccc1)-c1nccs1
Show InChI InChI=1S/C21H24N4O4S2/c26-17(25-28)8-4-5-10-22-19(27)18-16(31-21(24-18)20-23-11-13-30-20)9-12-29-14-15-6-2-1-3-7-15/h1-3,6-7,11,13,28H,4-5,8-10,12,14H2,(H,22,27)(H,25,26)
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n/an/a 160n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020902
PNG
(CHEMBL3287260 | US9216962, CFH437)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1-c1ccccc1Cl)-c1nccs1
Show InChI InChI=1S/C18H17ClN4O3S2/c19-12-6-2-1-5-11(12)15-14(22-18(28-15)17-21-9-10-27-17)16(25)20-8-4-3-7-13(24)23-26/h1-2,5-6,9-10,26H,3-4,7-8H2,(H,20,25)(H,23,24)
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Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020906
PNG
(CHEMBL3287264)
Show SMILES CC(C)=Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C16H20N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-9,23H,3-6H2,1-2H3,(H,17,22)(H,20,21)
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n/an/a 170n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50020906
PNG
(CHEMBL3287264)
Show SMILES CC(C)=Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C16H20N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-9,23H,3-6H2,1-2H3,(H,17,22)(H,20,21)
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n/an/a 180n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(epsilon-acetyl)-AMC as substrate after 3 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50020910
PNG
(CHEMBL3287268 | US9216962, CFH395)
Show SMILES CC(C)\C=C\c1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C17H22N4O3S2/c1-11(2)6-7-12-14(20-17(26-12)16-19-9-10-25-16)15(23)18-8-4-3-5-13(22)21-24/h6-7,9-11,24H,3-5,8H2,1-2H3,(H,18,23)(H,21,22)/b7-6+
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Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(epsilon-acetyl)-AMC as substrate after 3 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase


(Homo sapiens (human))
BDBM50020911
PNG
(CHEMBL3287269 | US9216962, CFH409-A)
Show SMILES CC(C)C1CC1c1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C18H24N4O3S2/c1-10(2)11-9-12(11)15-14(21-18(27-15)17-20-7-8-26-17)16(24)19-6-4-3-5-13(23)22-25/h7-8,10-12,25H,3-6,9H2,1-2H3,(H,19,24)(H,22,23)
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Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC6 using Boc-Lys(epsilon-acetyl)-AMC as substrate after 3 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020896
PNG
(CHEMBL3287254 | US9216962, CFH383)
Show SMILES CCCCc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C16H22N4O3S2/c1-2-3-6-11-13(19-16(25-11)15-18-9-10-24-15)14(22)17-8-5-4-7-12(21)20-23/h9-10,23H,2-8H2,1H3,(H,17,22)(H,20,21)
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n/an/a 190n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020900
PNG
(CHEMBL3287258 | US9216962, CFH421)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1-c1ccc(F)cc1)-c1nccs1
Show InChI InChI=1S/C18H17FN4O3S2/c19-12-6-4-11(5-7-12)15-14(22-18(28-15)17-21-9-10-27-17)16(25)20-8-2-1-3-13(24)23-26/h4-7,9-10,26H,1-3,8H2,(H,20,25)(H,23,24)
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Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020903
PNG
(CHEMBL3287261 | US9216962, CFH448-P)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1-c1ccc(cc1)[N+]([O-])=O)-c1nccs1
Show InChI InChI=1S/C18H17N5O5S2/c24-13(22-26)3-1-2-8-19-16(25)14-15(11-4-6-12(7-5-11)23(27)28)30-18(21-14)17-20-9-10-29-17/h4-7,9-10,26H,1-3,8H2,(H,19,25)(H,22,24)
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Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020906
PNG
(CHEMBL3287264)
Show SMILES CC(C)=Cc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C16H20N4O3S2/c1-10(2)9-11-13(19-16(25-11)15-18-7-8-24-15)14(22)17-6-4-3-5-12(21)20-23/h7-9,23H,3-6H2,1-2H3,(H,17,22)(H,20,21)
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n/an/a 200n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020889
PNG
(CHEMBL3287023 | US9216962, CFH326)
Show SMILES ONC(=O)CCCCNC(=O)c1csc(n1)-c1nccs1
Show InChI InChI=1S/C12H14N4O3S2/c17-9(16-19)3-1-2-4-13-10(18)8-7-21-12(15-8)11-14-5-6-20-11/h5-7,19H,1-4H2,(H,13,18)(H,16,17)
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n/an/a 210n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020885
PNG
(CHEMBL3287022 | US9216962, CFH340-4)
Show SMILES Cc1nc(cs1)-c1nc(cs1)C(=O)NCCCCC(=O)NO
Show InChI InChI=1S/C13H16N4O3S2/c1-8-15-10(7-21-8)13-16-9(6-22-13)12(19)14-5-3-2-4-11(18)17-20/h6-7,20H,2-5H2,1H3,(H,14,19)(H,17,18)
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n/an/a 240n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50322422
PNG
(CHEMBL1173445 | Largazole)
Show SMILES CCCCCCCC(=O)SCC\C=C\[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1
Show InChI InChI=1S/C29H42N4O5S3/c1-5-6-7-8-9-13-24(35)39-14-11-10-12-20-15-22(34)30-16-23-31-21(17-40-23)26-33-29(4,18-41-26)28(37)32-25(19(2)3)27(36)38-20/h10,12,17,19-20,25H,5-9,11,13-16,18H2,1-4H3,(H,30,34)(H,32,37)/b12-10+/t20-,25+,29+/m1/s1
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n/an/a 245n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020897
PNG
(CHEMBL3287255 | US9216962, CFH367-C)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1C1CC1)-c1nccs1
Show InChI InChI=1S/C15H18N4O3S2/c20-10(19-22)3-1-2-6-16-13(21)11-12(9-4-5-9)24-15(18-11)14-17-7-8-23-14/h7-9,22H,1-6H2,(H,16,21)(H,19,20)
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n/an/a 260n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020894
PNG
(CHEMBL3287252 | US9216962, CFH355)
Show SMILES CCc1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C14H18N4O3S2/c1-2-9-11(17-14(23-9)13-16-7-8-22-13)12(20)15-6-4-3-5-10(19)18-21/h7-8,21H,2-6H2,1H3,(H,15,20)(H,18,19)
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n/an/a 260n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020884
PNG
(CHEMBL3287021 | US9216962, CFH326-4)
Show SMILES ONC(=O)CCCCNC(=O)c1csc(n1)-c1cscn1
Show InChI InChI=1S/C12H14N4O3S2/c17-10(16-19)3-1-2-4-13-11(18)8-6-21-12(15-8)9-5-20-7-14-9/h5-7,19H,1-4H2,(H,13,18)(H,16,17)
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n/an/a 270n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020911
PNG
(CHEMBL3287269 | US9216962, CFH409-A)
Show SMILES CC(C)C1CC1c1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C18H24N4O3S2/c1-10(2)11-9-12(11)15-14(21-18(27-15)17-20-7-8-26-17)16(24)19-6-4-3-5-13(23)22-25/h7-8,10-12,25H,3-6,9H2,1-2H3,(H,19,24)(H,22,23)
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n/an/a 280n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020900
PNG
(CHEMBL3287258 | US9216962, CFH421)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1-c1ccc(F)cc1)-c1nccs1
Show InChI InChI=1S/C18H17FN4O3S2/c19-12-6-4-11(5-7-12)15-14(22-18(28-15)17-21-9-10-27-17)16(25)20-8-2-1-3-13(24)23-26/h4-7,9-10,26H,1-3,8H2,(H,20,25)(H,23,24)
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n/an/a 310n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020898
PNG
(CHEMBL3287256 | US9216962, CFH409)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1C1CCCCC1)-c1nccs1
Show InChI InChI=1S/C18H24N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h10-12,25H,1-9H2,(H,19,24)(H,22,23)
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n/an/a 330n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020895
PNG
(CHEMBL3287253 | US9216962, CFH369)
Show SMILES CC(C)c1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C15H20N4O3S2/c1-9(2)12-11(18-15(24-12)14-17-7-8-23-14)13(21)16-6-4-3-5-10(20)19-22/h7-9,22H,3-6H2,1-2H3,(H,16,21)(H,19,20)
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n/an/a 340n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (human))
BDBM50020898
PNG
(CHEMBL3287256 | US9216962, CFH409)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1C1CCCCC1)-c1nccs1
Show InChI InChI=1S/C18H24N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h10-12,25H,1-9H2,(H,19,24)(H,22,23)
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n/an/a 350n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC1 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020895
PNG
(CHEMBL3287253 | US9216962, CFH369)
Show SMILES CC(C)c1sc(nc1C(=O)NCCCCC(=O)NO)-c1nccs1
Show InChI InChI=1S/C15H20N4O3S2/c1-9(2)12-11(18-15(24-12)14-17-7-8-23-14)13(21)16-6-4-3-5-10(20)19-22/h7-9,22H,3-6H2,1-2H3,(H,16,21)(H,19,20)
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n/an/a 360n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
Histone deacetylase 3/NCoR1


(Homo sapiens (human))
BDBM50020899
PNG
(CHEMBL3287257 | US9216962, CFH403)
Show SMILES ONC(=O)CCCCNC(=O)c1nc(sc1-c1ccccc1)-c1nccs1
Show InChI InChI=1S/C18H18N4O3S2/c23-13(22-25)8-4-5-9-19-16(24)14-15(12-6-2-1-3-7-12)27-18(21-14)17-20-10-11-26-17/h1-3,6-7,10-11,25H,4-5,8-9H2,(H,19,24)(H,22,23)
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n/an/a 380n/an/an/an/an/an/a



Chinese National Center for Drug Screening

Curated by ChEMBL


Assay Description
Inhibition of recombinant human HDAC3 using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC as substrate after 24 hrs by fluorescence assay


ACS Med Chem Lett 5: 628-33 (2014)


Article DOI: 10.1021/ml400470s
BindingDB Entry DOI: 10.7270/Q2V40WRC
More data for this
Ligand-Target Pair
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